3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C7H11N3O2 — CID 64890378

IUPAC3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C7H11N3O2/c1-5-9-6(12-10-5)7(8)2-3-11-4-7/h2-4,8H2,1H3
InChIKeyVSQBZXUVKDVOLC-UHFFFAOYSA-N
MW169.18 g/mol
LogP-0.05
Rot. Bonds1

About 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 64890378) has the molecular formula C7H11N3O2 and a molecular weight of 169.18 g/mol. Its IUPAC name is 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID64890378
Molecular FormulaC7H11N3O2
Molecular Weight169.18 g/mol
Exact Mass169.09
IUPAC Name3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCc1noc(C2(N)CCOC2)n1
InChIInChI=1S/C7H11N3O2/c1-5-9-6(12-10-5)7(8)2-3-11-4-7/h2-4,8H2,1H3
InChIKeyVSQBZXUVKDVOLC-UHFFFAOYSA-N
XLogP-0.05
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.18
LogP ≤ 5-0.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 64890378) is 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is Cc1noc(C2(N)CCOC2)n1.
What is the InChIKey of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is VSQBZXUVKDVOLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2/c1-5-9-6(12-10-5)7(8)2-3-11-4-7/h2-4,8H2,1H3.
What are the key properties of 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 169.18 g/mol, XLogP of -0.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 64890378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).